2-chloro-N-(3-formylcyclopentyl)benzamide

C13H14ClNO2 — CID 174874670

IUPAC2-chloro-N-(3-formylcyclopentyl)benzamide
SMILESO=CC1CCC(NC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO2/c14-12-4-2-1-3-11(12)13(17)15-10-6-5-9(7-10)8-16/h1-4,8-10H,5-7H2,(H,15,17)
InChIKeyCNIKGRWWNUWBMV-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-N-(3-formylcyclopentyl)benzamide

2-chloro-N-(3-formylcyclopentyl)benzamide (PubChem CID 174874670) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-N-(3-formylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-formylcyclopentyl)benzamide
PubChem CID174874670
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-chloro-N-(3-formylcyclopentyl)benzamide
SMILESO=CC1CCC(NC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO2/c14-12-4-2-1-3-11(12)13(17)15-10-6-5-9(7-10)8-16/h1-4,8-10H,5-7H2,(H,15,17)
InChIKeyCNIKGRWWNUWBMV-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
2-chloro-N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110934653
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-formylcyclopentyl)benzamide?
The IUPAC name of 2-chloro-N-(3-formylcyclopentyl)benzamide (CID 174874670) is 2-chloro-N-(3-formylcyclopentyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-formylcyclopentyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-formylcyclopentyl)benzamide is O=CC1CCC(NC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-formylcyclopentyl)benzamide?
The InChIKey is CNIKGRWWNUWBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-12-4-2-1-3-11(12)13(17)15-10-6-5-9(7-10)8-16/h1-4,8-10H,5-7H2,(H,15,17).
What are the key properties of 2-chloro-N-(3-formylcyclopentyl)benzamide?
2-chloro-N-(3-formylcyclopentyl)benzamide has a molecular weight of 251.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-formylcyclopentyl)benzamide is sourced from PubChem (CID 174874670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).